[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-phenylmethoxybenzoate

Systemtic Name: [2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-phenylmethoxybenzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl] 2-benzyloxybenzoate CAS Name: 2-phenylmethoxybenzoic acid [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 2-phenylmethoxybenzoate Traditional Name: 2-benzoxybenzoic acid [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl] ester Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2OCC3=CC=CC=C3

InChI

InChI=1S/C27H26N2O5/c1-2-32-23-15-13-22(14-16-23)29(18-8-17-28)26(30)20-34-27(31)24-11-6-7-12-25(24)33-19-21-9-4-3-5-10-21/h3-7,9-16H,2,8,18-20H2,1H3